N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-beta-alanine
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0565 |
| Compound Name: | N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C18 H19 N O6 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8536 |
| logD: | -1.8421 |
| logSw: | -1.4574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.729 |
| InChI Key: | VIVOAWZUVUYWIH-UHFFFAOYSA-N |